SCHEMBL18627263

SCHEMBL18627263

COc1ccc([C@@H](C)N(CC(C)C(=O)O)C(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AOC3 Q16853 1/20 0.43
LDHA P00338 1/20 0.43
PTGS2 P35354 3/20 0.42
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
PTGS1 P23219 2/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
HPGD P15428 1/20 0.42
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18627231 0.90 ALOX5 (0.47) ALOX5MEN1KMT2AALDH1A1HSD17B10
SCHEMBL18627485 0.84 ALOX5 (0.45) ALOX5MEN1KMT2AALDH1A1HSD17B10
SCHEMBL12434956 0.80 MEN1 (0.48) ALOX5MEN1KMT2AALDH1A1HSD17B10
SCHEMBL19965257 0.78 ALOX5 (0.44) ALOX5MEN1KMT2AALDH1A1HSD17B10
SCHEMBL14380841 0.77 ALOX5 (0.46) ALOX5MEN1KMT2AALDH1A1HSD17B10
SCHEMBL956546 0.74 MEN1 (0.48) ALOX5MEN1KMT2AALDH1A1HSD17B10
SCHEMBL24495331 0.74 MEN1 (0.48) MEN1KMT2AALDH1A1HSD17B10TSHR
SCHEMBL21798487 0.73 ALOX5 (0.54) ALOX5MEN1KMT2AALDH1A1HSD17B10
SCHEMBL21798482 0.73 ALOX5 (0.54) ALOX5MEN1KMT2AALDH1A1HSD17B10
SCHEMBL4911721 0.73 ACP3 (0.53) ALOX5MEN1KMT2AALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INT (DE) 2018-05-31 US disclosed
US-20180072744-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-15 US disclosed
US-20170073333-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments HRH4, HRH2, HRH3 ALOX5 967/4885MEN1 2995/4885KMT2A 2004/4885
US-20170073333-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments HRH4, HRH2, HRH3 ALOX5 967/4885MEN1 2995/4885KMT2A 2004/4885
US-20180072744-A1 HETEROARYL SYK INHIBITORS SYK, BTK, CD40 ALOX5 1323/4885MEN1 3116/4885KMT2A 733/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.